==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-JUN-99 1QHZ . COMPND 2 MOLECULE: ENDOGLUCANASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS AGARADHAERENS; . AUTHOR A.VARROT,M.SCHULEIN,G.J.DAVIES . 302 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11668.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 21 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 2 0 0 0 0 1 1 1 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 4 A S > 0 0 94 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -28.1 15.8 68.4 25.4 2 5 A V H > + 0 0 32 88,-0.3 4,-2.3 87,-0.3 5,-0.3 0.978 360.0 32.9 -54.9 -58.9 16.4 65.8 22.6 3 6 A V H > S+ 0 0 8 87,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.882 115.1 58.6 -70.2 -33.9 15.4 68.2 19.8 4 7 A E H 4 S+ 0 0 156 86,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.937 112.7 42.7 -60.1 -36.4 16.9 71.2 21.6 5 8 A E H < S+ 0 0 100 -4,-2.5 -2,-0.2 1,-0.1 -1,-0.2 0.896 127.6 24.9 -75.3 -43.7 20.2 69.3 21.6 6 9 A H H < S+ 0 0 28 -4,-2.3 13,-2.3 -5,-0.2 -3,-0.2 0.681 82.6 175.1 -98.4 -24.9 20.3 67.8 18.1 7 10 A G < + 0 0 6 -4,-2.6 2,-0.4 -5,-0.3 -1,-0.2 -0.190 57.1 19.2 59.0-140.2 18.1 70.3 16.2 8 11 A Q S S- 0 0 43 10,-0.1 2,-0.2 158,-0.0 120,-0.1 -0.528 76.8-148.5 -67.3 120.2 17.9 69.8 12.4 9 12 A L + 0 0 5 -2,-0.4 2,-0.3 118,-0.4 9,-0.2 -0.616 21.9 170.9 -88.7 152.2 18.9 66.3 11.4 10 13 A S E -A 17 0A 41 7,-2.5 7,-3.1 -2,-0.2 2,-0.5 -0.916 33.8-105.0-150.8 171.9 20.6 65.6 8.0 11 14 A I E -A 16 0A 27 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.935 28.8-176.1-107.2 128.9 22.4 62.8 6.2 12 15 A S E > S-A 15 0A 57 3,-2.8 3,-2.1 -2,-0.5 -2,-0.0 -0.971 74.3 -29.4-128.2 109.5 26.2 62.9 5.8 13 16 A N T 3 S- 0 0 158 -2,-0.5 -1,-0.1 1,-0.3 205,-0.1 0.875 129.1 -43.0 51.1 45.3 27.7 60.1 3.7 14 17 A G T 3 S+ 0 0 14 1,-0.2 207,-0.4 178,-0.1 2,-0.4 0.423 116.8 116.4 86.3 -6.5 25.0 57.7 4.7 15 18 A E E < -A 12 0A 66 -3,-2.1 -3,-2.8 205,-0.1 2,-0.6 -0.845 66.6-128.6-103.8 138.3 24.9 58.8 8.4 16 19 A L E +A 11 0A 8 -2,-0.4 8,-2.0 -5,-0.2 2,-0.3 -0.689 43.0 175.2 -76.0 119.2 22.1 60.4 10.3 17 20 A V E -AB 10 23A 8 -7,-3.1 -7,-2.5 -2,-0.6 6,-0.2 -0.864 26.3-120.5-128.3 160.8 23.8 63.5 11.9 18 21 A N > - 0 0 2 4,-2.6 3,-2.2 -2,-0.3 -11,-0.2 -0.178 47.8 -81.8 -89.6-173.8 22.7 66.5 14.0 19 22 A E T 3 S+ 0 0 122 -13,-2.3 -12,-0.1 1,-0.3 -10,-0.1 0.669 131.8 53.5 -69.2 -8.5 23.0 70.2 13.2 20 23 A R T 3 S- 0 0 129 -14,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.411 119.9-110.6 -98.5 -0.1 26.6 70.1 14.4 21 24 A G S < S+ 0 0 52 -3,-2.2 2,-0.2 1,-0.3 -2,-0.1 0.575 74.0 137.0 82.7 13.0 27.4 67.2 12.1 22 25 A E - 0 0 91 1,-0.1 -4,-2.6 -16,-0.1 -1,-0.3 -0.631 64.0 -92.3 -89.9 153.3 27.8 64.7 15.0 23 26 A Q B -B 17 0A 117 -6,-0.2 2,-0.4 -2,-0.2 -6,-0.2 -0.346 40.6-165.5 -63.2 144.8 26.2 61.2 14.7 24 27 A V - 0 0 4 -8,-2.0 2,-0.5 229,-0.1 -8,-0.2 -0.995 6.0-165.0-130.6 134.3 22.7 60.8 16.2 25 28 A Q - 0 0 39 -2,-0.4 2,-0.4 229,-0.1 229,-0.1 -0.979 8.5-158.5-122.8 114.7 21.0 57.5 16.9 26 29 A L + 0 0 0 -2,-0.5 230,-2.6 227,-0.2 2,-0.4 -0.769 11.8 179.0 -92.1 139.7 17.3 57.6 17.5 27 30 A K E +c 256 0B 12 -2,-0.4 29,-2.0 228,-0.2 30,-0.5 -0.980 24.2 120.3-136.5 128.1 15.6 54.7 19.4 28 31 A G E -cd 257 57B 0 228,-1.7 230,-2.4 -2,-0.4 2,-0.3 -0.830 51.6 -77.6-163.5-163.3 11.9 54.7 20.1 29 32 A M E -cd 258 58B 0 28,-1.0 30,-2.8 228,-0.3 2,-0.4 -0.883 23.5-142.5-117.0 150.3 8.6 53.0 19.7 30 33 A S E -cd 259 59B 0 228,-3.2 231,-2.5 -2,-0.3 230,-0.6 -0.869 22.4-128.0-102.0 148.4 6.1 52.7 16.8 31 34 A S E -c 261 0B 0 28,-2.8 231,-0.1 -2,-0.4 3,-0.1 -0.356 24.8-118.2 -77.1 172.1 2.4 52.7 17.6 32 35 A H S S- 0 0 8 229,-0.7 29,-0.4 5,-0.3 2,-0.2 -0.174 70.7 -36.1 -90.7-169.8 0.4 49.9 16.1 33 36 A G >> - 0 0 0 1,-0.2 4,-2.6 -2,-0.1 3,-1.9 -0.375 56.1-144.4 -57.3 125.9 -2.4 50.9 13.6 34 37 A L H 3> S+ 0 0 9 27,-1.8 4,-0.8 1,-0.3 -1,-0.2 0.704 97.8 64.8 -63.1 -21.1 -3.8 54.2 14.9 35 38 A Q H 34 S+ 0 0 45 2,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.636 117.6 24.3 -75.3 -17.3 -7.2 53.0 13.7 36 39 A W H <4 S+ 0 0 116 -3,-1.9 -2,-0.2 2,-0.0 -1,-0.2 0.686 137.3 24.2-114.2 -32.1 -7.2 50.2 16.2 37 40 A Y H >< S+ 0 0 38 -4,-2.6 3,-1.2 1,-0.1 -5,-0.3 -0.130 72.3 128.8-133.7 35.9 -4.9 51.3 19.0 38 41 A G G >< + 0 0 9 -4,-0.8 3,-1.8 1,-0.2 -4,-0.1 0.689 61.0 76.3 -66.0 -23.3 -4.8 55.1 18.8 39 42 A Q G 3 S+ 0 0 82 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.750 88.0 59.8 -62.2 -24.2 -5.6 55.4 22.5 40 43 A F G < S+ 0 0 0 -3,-1.2 2,-0.7 221,-0.1 -1,-0.3 0.474 92.1 78.0 -81.3 -2.0 -2.0 54.5 23.4 41 44 A V < + 0 0 0 -3,-1.8 2,-0.3 -4,-0.1 -1,-0.1 -0.895 65.9 108.8-112.6 104.3 -0.8 57.5 21.4 42 45 A N S > S- 0 0 11 -2,-0.7 4,-2.6 235,-0.1 5,-0.3 -0.967 79.7 -87.0-164.3 166.2 -1.2 60.8 23.4 43 46 A Y H > S+ 0 0 88 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.873 122.4 48.5 -50.3 -47.1 0.8 63.4 25.2 44 47 A E H > S+ 0 0 104 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.885 113.8 44.3 -67.8 -41.0 0.9 61.5 28.5 45 48 A S H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.877 115.3 48.7 -72.3 -34.5 1.9 58.1 27.1 46 49 A M H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.873 111.6 50.4 -70.9 -34.4 4.5 59.8 24.9 47 50 A K H X S+ 0 0 74 -4,-2.2 4,-3.3 -5,-0.3 5,-0.2 0.890 110.4 49.2 -68.1 -40.4 5.8 61.7 27.9 48 51 A W H X>S+ 0 0 76 -4,-2.1 4,-3.7 2,-0.2 5,-0.9 0.920 111.2 49.7 -64.6 -41.1 6.0 58.5 29.9 49 52 A L H X>S+ 0 0 0 -4,-2.3 6,-2.1 3,-0.2 5,-1.1 0.891 114.3 45.8 -63.3 -39.4 7.9 56.8 27.1 50 53 A R H <5S+ 0 0 68 -4,-1.9 4,-0.4 4,-0.2 -2,-0.2 0.957 122.9 34.0 -66.9 -50.7 10.3 59.8 26.9 51 54 A D H <5S+ 0 0 82 -4,-3.3 -2,-0.2 2,-0.1 -3,-0.2 0.831 129.5 30.2 -79.8 -37.4 10.8 60.0 30.6 52 55 A D H <5S+ 0 0 32 -4,-3.7 -3,-0.2 -5,-0.2 -2,-0.1 0.795 132.4 28.8 -95.0 -31.0 10.7 56.3 31.7 53 56 A W T < S+ 0 0 31 33,-0.4 3,-0.8 1,-0.1 4,-0.1 -0.074 91.4 63.7 -94.6-164.2 -5.9 50.4 4.3 66 69 A S T 3 S- 0 0 53 1,-0.3 -1,-0.1 2,-0.1 -3,-0.1 0.889 137.4 -41.5 51.3 46.9 -7.7 48.2 6.9 67 70 A G T 3 S+ 0 0 38 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.653 116.0 128.3 75.2 18.8 -10.1 50.9 8.1 68 71 A G S <> S- 0 0 0 -3,-0.8 4,-3.3 -4,-0.1 -4,-0.3 0.318 76.1 -46.7 -83.9-150.9 -7.2 53.4 7.9 69 72 A Y T 4 S+ 0 0 20 -6,-2.8 -5,-0.2 1,-0.2 -4,-0.1 0.800 127.2 59.7 -58.1 -36.5 -6.9 56.8 6.3 70 73 A I T 4 S+ 0 0 47 -6,-2.2 -1,-0.2 1,-0.2 -5,-0.1 0.957 120.2 26.8 -61.9 -51.3 -8.3 55.9 2.9 71 74 A D T 4 S+ 0 0 131 -7,-0.6 -2,-0.2 1,-0.3 -1,-0.2 0.873 139.9 22.8 -76.3 -40.8 -11.7 54.9 4.3 72 75 A D >< + 0 0 82 -4,-3.3 3,-1.5 -8,-0.2 -1,-0.3 -0.732 61.3 179.5-132.2 91.9 -11.6 57.1 7.4 73 76 A P G > + 0 0 63 0, 0.0 3,-1.6 0, 0.0 4,-0.1 0.422 66.8 90.8 -68.2 -0.6 -9.3 60.1 7.1 74 77 A S G > + 0 0 64 1,-0.3 3,-2.8 2,-0.2 4,-0.4 0.717 68.1 77.3 -70.2 -17.4 -10.3 61.2 10.6 75 78 A V G X> S+ 0 0 13 -3,-1.5 4,-1.4 1,-0.3 3,-1.1 0.732 76.6 76.8 -62.0 -20.1 -7.3 59.1 11.9 76 79 A K H <> S+ 0 0 35 -3,-1.6 4,-2.1 1,-0.3 -1,-0.3 0.821 84.2 63.0 -59.2 -27.2 -5.3 62.1 10.6 77 80 A E H <> S+ 0 0 109 -3,-2.8 4,-1.6 1,-0.2 -1,-0.3 0.838 100.9 50.9 -65.4 -34.6 -6.5 63.8 13.8 78 81 A K H <> S+ 0 0 41 -3,-1.1 4,-1.9 -4,-0.4 -1,-0.2 0.800 107.4 53.5 -70.4 -31.0 -4.5 61.2 15.8 79 82 A V H X S+ 0 0 0 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.928 109.1 48.3 -67.3 -45.5 -1.4 61.8 13.7 80 83 A K H X S+ 0 0 38 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.865 108.7 53.9 -60.9 -41.3 -1.6 65.6 14.4 81 84 A E H X S+ 0 0 74 -4,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.943 111.4 46.2 -58.6 -46.0 -2.0 64.9 18.1 82 85 A A H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.934 113.2 47.9 -64.7 -45.3 1.1 62.7 18.0 83 86 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.946 113.9 47.2 -61.3 -45.5 3.1 65.3 16.1 84 87 A E H X S+ 0 0 97 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.906 111.5 51.3 -66.9 -35.9 2.0 68.1 18.3 85 88 A A H X S+ 0 0 5 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.934 109.5 50.7 -64.7 -43.8 2.8 66.0 21.4 86 89 A A H X>S+ 0 0 0 -4,-2.7 5,-2.3 1,-0.2 4,-0.8 0.899 110.1 49.2 -59.8 -42.0 6.3 65.3 20.0 87 90 A I H ><5S+ 0 0 35 -4,-2.3 3,-0.7 1,-0.2 -1,-0.2 0.939 113.4 46.9 -64.6 -43.1 7.0 69.0 19.4 88 91 A D H 3<5S+ 0 0 117 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.849 116.1 44.3 -65.9 -35.9 5.8 69.8 23.0 89 92 A L H 3<5S- 0 0 1 -4,-2.6 -87,-0.3 -5,-0.2 -1,-0.2 0.463 110.2-124.5 -87.9 -3.0 7.9 67.0 24.4 90 93 A D T <<5 + 0 0 35 -4,-0.8 -87,-2.5 -3,-0.7 -88,-0.3 0.858 67.1 123.1 63.5 41.9 10.9 67.9 22.3 91 94 A I < - 0 0 0 -5,-2.3 -1,-0.2 -89,-0.2 -34,-0.2 -0.774 65.1 -95.6-123.5 170.0 11.4 64.5 20.6 92 95 A Y E -e 57 0B 0 -36,-2.4 -34,-1.6 -2,-0.3 2,-0.4 -0.505 35.6-158.9 -84.4 158.6 11.4 63.4 17.0 93 96 A V E -ef 58 129B 0 35,-3.0 37,-2.4 -36,-0.2 2,-0.5 -1.000 9.0-148.6-143.5 135.1 8.4 62.0 15.3 94 97 A I E -ef 59 130B 0 -36,-2.6 -34,-2.8 -2,-0.4 2,-0.8 -0.928 6.9-153.3-105.8 124.7 7.9 59.8 12.2 95 98 A I E -ef 60 131B 0 35,-2.7 37,-3.3 -2,-0.5 2,-0.7 -0.865 21.3-162.1 -95.8 109.6 4.7 60.3 10.2 96 99 A D E -ef 61 132B 0 -36,-2.0 -34,-2.0 -2,-0.8 2,-1.4 -0.855 21.5-156.0-106.1 112.6 4.2 56.9 8.6 97 100 A W E -e 62 0B 0 35,-2.8 38,-2.2 -2,-0.7 2,-1.6 -0.732 31.4-151.9 -78.7 93.5 2.0 56.4 5.5 98 101 A H E +e 63 0B 3 -36,-2.3 -34,-1.1 -2,-1.4 -33,-0.4 -0.507 23.4 173.3 -88.5 79.2 1.6 52.8 6.5 99 102 A I + 0 0 0 -2,-1.6 37,-1.0 -36,-0.2 4,-0.1 -0.463 19.2 132.6 -77.0 152.8 0.9 50.7 3.4 100 103 A L S S+ 0 0 53 -2,-0.1 -1,-0.2 35,-0.1 38,-0.1 0.046 75.5 29.9-160.7 -78.7 0.8 47.0 3.8 101 104 A S S S+ 0 0 73 1,-0.2 2,-2.0 2,-0.1 3,-0.1 0.852 114.7 66.0 -65.1 -30.5 -2.0 45.1 2.2 102 105 A D S S+ 0 0 9 1,-0.2 -1,-0.2 3,-0.0 6,-0.1 -0.650 81.2 179.1 -85.4 75.8 -2.1 47.8 -0.4 103 106 A N + 0 0 56 -2,-2.0 35,-1.7 -4,-0.1 -1,-0.2 0.564 54.4 66.0 -67.7 -15.8 1.3 46.5 -1.4 104 107 A D S > S- 0 0 36 33,-0.2 3,-2.0 -3,-0.1 4,-0.3 -0.949 74.4-146.3-105.8 124.4 2.2 48.8 -4.2 105 108 A P G > S+ 0 0 2 0, 0.0 3,-0.7 0, 0.0 7,-0.2 0.712 95.1 69.8 -62.9 -20.0 2.7 52.4 -3.0 106 109 A N G > S+ 0 0 51 1,-0.2 3,-1.1 2,-0.2 4,-0.3 0.620 76.1 84.3 -73.8 -8.6 1.2 53.7 -6.3 107 110 A I G < S+ 0 0 83 -3,-2.0 -1,-0.2 1,-0.3 3,-0.2 0.932 109.9 18.2 -57.8 -45.5 -2.2 52.3 -5.3 108 111 A Y G <> S+ 0 0 55 -3,-0.7 4,-2.8 -4,-0.3 -1,-0.3 -0.100 84.4 133.6-118.1 39.1 -2.9 55.5 -3.3 109 112 A K H <> S+ 0 0 51 -3,-1.1 4,-2.6 1,-0.2 5,-0.2 0.896 73.7 49.5 -53.7 -48.9 -0.3 57.9 -4.8 110 113 A E H > S+ 0 0 154 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.948 114.2 46.0 -59.5 -44.3 -2.6 60.8 -5.3 111 114 A E H > S+ 0 0 76 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.886 111.5 52.2 -64.2 -42.7 -3.8 60.5 -1.7 112 115 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.903 109.6 49.2 -61.0 -42.4 -0.3 60.2 -0.4 113 116 A K H X S+ 0 0 59 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.918 112.4 47.7 -63.7 -42.7 0.8 63.3 -2.2 114 117 A D H X S+ 0 0 95 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.908 113.6 48.0 -63.7 -41.7 -2.2 65.2 -0.8 115 118 A F H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.926 114.0 44.8 -65.7 -47.4 -1.5 64.0 2.7 116 119 A F H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.803 109.3 56.8 -69.5 -25.8 2.2 64.8 2.7 117 120 A D H X S+ 0 0 45 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.959 111.8 43.6 -66.7 -46.9 1.5 68.2 1.1 118 121 A E H X S+ 0 0 45 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.915 115.8 46.2 -62.9 -46.5 -0.7 68.9 4.1 119 122 A M H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.908 114.5 47.0 -65.5 -41.0 1.7 67.5 6.7 120 123 A S H X S+ 0 0 2 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.845 111.7 51.4 -72.0 -30.6 4.7 69.3 5.3 121 124 A E H < S+ 0 0 118 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.935 117.2 39.9 -67.9 -45.5 2.9 72.6 5.0 122 125 A L H < S+ 0 0 82 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.897 135.6 13.9 -69.0 -44.4 1.8 72.3 8.6 123 126 A Y H >< S+ 0 0 9 -4,-2.9 3,-2.5 -5,-0.2 6,-0.3 0.437 86.8 109.6-117.1 0.6 4.9 71.0 10.2 124 127 A G T 3< S+ 0 0 3 -4,-1.9 41,-0.2 1,-0.3 42,-0.2 0.682 76.5 59.7 -55.1 -23.8 7.8 71.4 7.7 125 128 A D T 3 S+ 0 0 151 -4,-0.2 -1,-0.3 -5,-0.1 -2,-0.1 0.506 88.7 87.5 -83.9 -3.3 9.5 74.1 9.7 126 129 A Y X - 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